Samholide e

Structural Information

Molecular Formula

C₉₃H₁₅₆O₃₁

SMILES

C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2C[C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C/C=C(/C=C/C(=O)O[C@@H](C[C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@H](C/C=C(/C=C/C(=O)O2)\C)O[C@@H]5[C@H]([C@@H]([C@H](CO5)OC)OC)O)OC)C)O)O)[C@@H](C)[C@H]([C@@H](C)CC[C@H]6C[C@@H](C[C@@H](O6)C)OC)O)\C)O[C@@H]7[C@H]([C@@H]([C@H](CO7)OC)OC)OC(=O)[C@@H](CO)O)OC)C)O)O)O)OC

InChI

InChI=1S/C93H156O31/c1-52-25-31-70(120-92-87(104)88(112-17)81(110-15)50-114-92)43-64-21-19-23-66(118-64)47-77(108-13)58(7)74(97)39-62(95)42-80(61(10)86(103)55(4)30-34-69-46-73(107-12)38-57(6)117-69)123-84(101)36-28-53(2)26-32-71(121-93-90(124-91(105)76(99)49-94)89(113-18)82(111-16)51-115-93)44-65-22-20-24-67(119-65)48-78(109-14)59(8)75(98)40-63(96)41-79(122-83(100)35-27-52)60(9)85(102)54(3)29-33-68-45-72(106-11)37-56(5)116-68/h19-22,25-28,35-36,54-82,85-90,92-99,102-104H,23-24,29-34,37-51H2,1-18H3/b35-27+,36-28+,52-25+,53-26+/t54-,55-,56-,57-,58-,59-,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72+,73+,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-,86-,87-,88+,89+,90-,92+,93+/m0/s1

InChIKey

PJILNYZHCHGJIN-BGEIPISBSA-N

Compound name

[(2R,3S,4R,5S)-4,5-dimethoxy-2-[[(1R,3S,5E,7E,11S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,35R,37S,38S,39S,41S)-13,15,35,37-tetrahydroxy-25-[(2R,3S,4S,5S)-3-hydroxy-4,5-dimethoxyoxan-2-yl]oxy-11,33-bis[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-9,31-dioxo-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaen-3-yl]oxy]oxan-3-yl] (2R)-2,3-dihydroxypropanoate

Related CIDs

• CID 139591437
• CID 139591438
• CID 139591439